SCHEMBL6540824

SCHEMBL6540824

O=C(CN(Cc1ccccc1)CC1COCCN1Cc1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 4/20 0.43
▸ ATM Q13315 1/20 0.36
▸ OPRD1 P41143 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6539808 0.83 OPRD1 (0.53) AGTR2OPRD1
SCHEMBL9678086 0.75 LTA4H (0.43) OPRD1MAOBALDH1A1LMNA
SCHEMBL3696856 0.74 OPRD1 (0.41) OPRD1MAOBALDH1A1LMNA
SCHEMBL19086092 0.73 DPP4 (0.40) AGTR2MAOBALDH1A1NPSR1
SCHEMBL3234426 0.72 ALDH1A1 (0.43) MAOBALDH1A1NPSR1
SCHEMBL1189609 0.72 LTA4H (0.44) OPRD1ALDH1A1LMNA
SCHEMBL1190232 0.72 RXFP1 (0.40) OPRD1MAOBALDH1A1
SCHEMBL4690079 0.71 LTA4H (0.41) MAOB
SCHEMBL945182 0.71 SIGMAR1 (0.47) —
SCHEMBL945183 0.71 SIGMAR1 (0.47) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 — — US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 — — US disclosed
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 — — EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 AGTR2 69/4885ATM 3962/4885OPRD1 77/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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